6-butan-2-yl-2-propan-2-yl-7H-purine

C12H18N4 — CID 142401890

IUPAC6-butan-2-yl-2-propan-2-yl-7H-purine
SMILESCCC(C)c1nc(C(C)C)nc2nc[nH]c12
InChIInChI=1S/C12H18N4/c1-5-8(4)9-10-12(14-6-13-10)16-11(15-9)7(2)3/h6-8H,5H2,1-4H3,(H,13,14,15,16)
InChIKeyXXNPXRCFSZDYBQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.99
Rot. Bonds3

About 6-butan-2-yl-2-propan-2-yl-7H-purine

6-butan-2-yl-2-propan-2-yl-7H-purine (PubChem CID 142401890) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-butan-2-yl-2-propan-2-yl-7H-purine.

Molecular Properties

Compound Name6-butan-2-yl-2-propan-2-yl-7H-purine
PubChem CID142401890
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-butan-2-yl-2-propan-2-yl-7H-purine
SMILESCCC(C)c1nc(C(C)C)nc2nc[nH]c12
InChIInChI=1S/C12H18N4/c1-5-8(4)9-10-12(14-6-13-10)16-11(15-9)7(2)3/h6-8H,5H2,1-4H3,(H,13,14,15,16)
InChIKeyXXNPXRCFSZDYBQ-UHFFFAOYSA-N
XLogP2.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
CID 67967892
7-butan-2-yl-1H-imidazo[4,5-b]pyridine;molecular hydrogen
CID 144881517
N-(4-dipropylphosphorylphenyl)-2-propan-2-yl-7H-purin-6-amine
CID 68920446
2-(1-ethoxypropyl)-7H-purin-6-amine
CID 174819126
6-(1-amino-2-methylpropyl)-7H-purin-2-amine
CID 174749198
6-ethyl-2-methyl-7H-purine
CID 176927465
molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
6-propan-2-yl-2,7-dihydropurin-2-ide;yttrium
CID 176927745
5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
CID 177331332
2-ethoxy-6-methyl-7H-purine
CID 119081784
2-(2-methylbutylsulfanyl)-7H-purin-6-amine
CID 68896355
2-ethyl-6-propan-2-yloxy-7H-purine
CID 123998752

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2-propan-2-yl-7H-purine?
The IUPAC name of 6-butan-2-yl-2-propan-2-yl-7H-purine (CID 142401890) is 6-butan-2-yl-2-propan-2-yl-7H-purine.
What is the SMILES notation for 6-butan-2-yl-2-propan-2-yl-7H-purine?
The canonical SMILES for 6-butan-2-yl-2-propan-2-yl-7H-purine is CCC(C)c1nc(C(C)C)nc2nc[nH]c12.
What is the InChIKey of 6-butan-2-yl-2-propan-2-yl-7H-purine?
The InChIKey is XXNPXRCFSZDYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-8(4)9-10-12(14-6-13-10)16-11(15-9)7(2)3/h6-8H,5H2,1-4H3,(H,13,14,15,16).
What are the key properties of 6-butan-2-yl-2-propan-2-yl-7H-purine?
6-butan-2-yl-2-propan-2-yl-7H-purine has a molecular weight of 218.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2-propan-2-yl-7H-purine is sourced from PubChem (CID 142401890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).